[[4-[[2-[(4-aminocyclohexyl)amino]-9-ethylpurin-6-yl]amino]phenyl]-hydroxyphosphinothioyl]methyl-sulfanylphosphinic acid;2-N-(4-aminocyclohexyl)-6-N-[4-[dihydroxyphosphinothioylmethyl(hydroxy)phosphinothioyl]phenyl]-9-ethylpurine-2,6-diamine;2-N-(4-aminocyclohexyl)-6-N-[4-[dimethylphosphinothioylmethyl(methyl)phosphinothioyl]phenyl]-9-ethylpurine-2,6-diamine;2-N-(4-aminocyclohexyl)-6-N-[4-[dimethylphosphorylmethyl(methyl)phosphoryl]phenyl]-9-ethylpurine-2,6-diamine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: [[4-[[2-[(4-aminocyclohexyl)amino]-9-ethylpurin-6-yl]amino]phenyl]-hydroxyphosphinothioyl]methyl-sulfanylphosphinic acid;2-N-(4-aminocyclohexyl)-6-N-[4-[dihydroxyphosphinothioylmethyl(hydroxy)phosphinothioyl]phenyl]-9-ethylpurine-2,6-diamine;2-N-(4-aminocyclohexyl)-6-N-[4-[dimethylphosphinothioylmethyl(methyl)phosphinothioyl]phenyl]-9-ethylpurine-2,6-diamine;2-N-(4-aminocyclohexyl)-6-N-[4-[dimethylphosphorylmethyl(methyl)phosphoryl]phenyl]-9-ethylpurine-2,6-diamine
• 化学式: C86H128N28O8P8S6
• 分子量: 2122.3
• InChiKey: CGFLYLBJIYWNFC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.06
• 重原子数：
  136
• 可旋转键数：
  32
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  689
• 氢给体数：
  18
• 氢受体数：
  38